Ab initio study of stability and site-specific oxygen adsorption energies of Pt nanoparticles

Journal of Physical Chemistry C

Volumn 113, Issue 42, 2009, Pages 17989-17996

  Wang, Liya ^a,b   Roudgar, Ata ^a,b   Eikerling, Michael ^a,b  

^a SIMON FRASER UNIVERSITY   (Canada)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO STUDY; ADSORPTION ENERGIES; ATOMIC OXYGEN; COHESIVE ENERGIES; CONTOUR PLOT; COORDINATION NUMBER; DETAILED MODELS; EDGE EFFECT; EMPIRICAL RELATIONS; EXTENDED SURFACES; GEOMETRIC EFFECTS; GEOMETRIC SHAPE; GIBBS-THOMSON; IN-BUILDINGS; LATTICE STRAIN; NANOFACETS; OXYGEN ADSORPTION; OXYGEN INTERACTION; PT NANOPARTICLES; REACTION MECHANISM; SITE-SELECTIVITY; SITE-SPECIFIC; SURFACE ATOMS;

ATOMS; COORDINATION REACTIONS; DENSITY FUNCTIONAL THEORY; NANOPARTICLES; OXYGEN; PLATINUM;

GAS ADSORPTION;

EID: 70449560916     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp900965q     Document Type: Article

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